CID 3065353

Succinamic acid, n-(5-isopropyl-1,3,4-thiadiazol-2-yl)-, allyl ester

Structural Information

Molecular Formula
C12H17N3O3S
SMILES
CC(C)C1=NN=C(S1)NC(=O)CCC(=O)OCC=C
InChI
InChI=1S/C12H17N3O3S/c1-4-7-18-10(17)6-5-9(16)13-12-15-14-11(19-12)8(2)3/h4,8H,1,5-7H2,2-3H3,(H,13,15,16)
InChIKey
VYQCWKBYLAWTAF-UHFFFAOYSA-N
Compound name
prop-2-enyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.09906 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.10634 166.2
[M+Na]+ 306.08828 172.3
[M-H]- 282.09178 167.1
[M+NH4]+ 301.13288 181.3
[M+K]+ 322.06222 170.0
[M+H-H2O]+ 266.09632 158.4
[M+HCOO]- 328.09726 181.9
[M+CH3COO]- 342.11291 200.2
[M+Na-2H]- 304.07373 163.9
[M]+ 283.09851 170.9
[M]- 283.09961 170.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.